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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c1-23(2)15-7-4-13(5-8-15)11-20-18(26)14-6-9-17(16(10-14)25(27)28)29-19-22-21-12-24(19)3/h4-10,12H,11H2,1-3H3,(H,20,26)