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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-o-veratryl-benzamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-23(11-14-6-5-7-16(29-3)18(14)30-4)19(26)13-8-9-17(15(10-13)25(27)28)31-20-22-21-12-24(20)2/h5-10,12H,11H2,1-4H3