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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-m-anisyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H22N4O2S/c1-14-5-3-7-16(11-14)19-22-23-20(27)24(19)10-9-18(25)21-13-15-6-4-8-17(12-15)26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,25)(H,23,27)