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

Systemtic Name: N-(3-methoxypropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-methoxypropyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-methoxypropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-methoxypropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-methoxypropyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCCCOC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCCCOC

InChI

InChI=1S/C16H22N4O2S/c1-12-5-3-6-13(11-12)15-18-19-16(23)20(15)9-7-14(21)17-8-4-10-22-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,17,21)(H,19,23)