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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O5S/c1-5-31-17-8-6-14(10-18(17)30-4)12-24(2)20(27)15-7-9-19(16(11-15)26(28)29)32-21-23-22-13-25(21)3/h6-11,13H,5,12H2,1-4H3