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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-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:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S2/c1-23(10-17-21-13-5-3-4-6-15(13)29-17)18(26)12-7-8-16(14(9-12)25(27)28)30-19-22-20-11-24(19)2/h3-9,11H,10H2,1-2H3