N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H16N6O3S2 MolecularWeight: 440.49874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])C

InChI

InChI=1S/C19H16N6O3S2/c1-10-6-11(2)16-15(7-10)29-18(21-16)22-17(26)12-4-5-14(13(8-12)25(27)28)30-19-23-20-9-24(19)3/h4-9H,1-3H3,(H,21,22,26)