2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(3-nitrophenyl)methyl]ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(3-nitrophenyl)methyl]ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(3-nitrophenyl)methyl]acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(3-nitrophenyl)methyl]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(3-nitrophenyl)methyl]acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-(3-nitrobenzyl)acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19N5O4S/c1-22(11-13-4-3-5-15(10-13)24(26)27)17(25)12-23-18(20-21-19(23)29)14-6-8-16(28-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,29)