3-(4-tert-butylphenyl)-5-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-(4-chloro-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-chloro-2-nitrophenyl)thio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-chloro-2-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-chloro-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazole Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O2S/c1-19(2,3)13-7-5-12(6-8-13)17-21-22-18(23(17)4)27-16-10-9-14(20)11-15(16)24(25)26/h5-11H,1-4H3