7-chloranyl-4-methyl-2-(2-methyl-4-nitro-benzene-6-id-1-yl)sulfanyl-1,3-benzothiazole; yttrium(3+)

Systemtic Name: 7-chloranyl-4-methyl-2-(2-methyl-4-nitro-benzene-6-id-1-yl)sulfanyl-1,3-benzothiazole; yttrium(3+) Openeye Name: 7-chloro-4-methyl-2-(2-methyl-4-nitro-benzene-6-id-1-yl)sulfanyl-1,3-benzothiazole; yttrium(3+) CAS Name: 7-chloro-4-methyl-2-[(2-methyl-4-nitro-1-benzene-6-idyl)thio]-1,3-benzothiazole; yttrium(3+) IUPAC Name: 7-chloro-4-methyl-2-(2-methyl-4-nitrobenzene-6-id-1-yl)sulfanyl-1,3-benzothiazole; yttrium(3+) Traditional Name: 7-chloro-4-methyl-2-[(2-methyl-4-nitro-benzene-6-id-1-yl)thio]-1,3-benzothiazole; yttrium(3+) Formula: C15H10ClN2O2S2Y+2 MolecularWeight: 438.74095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)SC3=C(C=C(C=[C-]3)[N+](=O)[O-])C.[Y+3]

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)SC3=C(C=C(C=[C-]3)[N+](=O)[O-])C.[Y+3]

InChI

InChI=1S/C15H10ClN2O2S2.Y/c1-8-3-5-11(16)14-13(8)17-15(22-14)21-12-6-4-10(18(19)20)7-9(12)2;/h3-5,7H,1-2H3;/q-1;+3