3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-keto-ethyl]thio]isothiazole-4-carbonitrile Formula: C32H34N6O10S3 MolecularWeight: 758.84156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)CSC2=C(C(=NS2)SCC(=O)C3=C(C(=C(C(=C3C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)CSC2=C(C(=NS2)SCC(=O)C3=C(C(=C(C(=C3C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C32H34N6O10S3/c1-14-21(15(2)26(36(43)44)23(31(5,6)7)25(14)35(41)42)19(39)12-49-29-18(11-33)30(51-34-29)50-13-20(40)22-16(3)27(37(45)46)24(32(8,9)10)28(17(22)4)38(47)48/h12-13H2,1-10H3