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

Systemtic Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide IUPAC Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide Traditional Name: N-(4-allyloxybenzyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-4-11-30-17-8-5-15(6-9-17)13-24(2)20(27)16-7-10-19(18(12-16)26(28)29)31-21-23-22-14-25(21)3/h4-10,12,14H,1,11,13H2,2-3H3