N-[4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide CAS Name: N-[4-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C

InChI

InChI=1S/C21H18N4O3S/c1-12-3-5-14(6-4-12)20-23-21(25-24-20)29-11-15-9-19(27)28-18-10-16(22-13(2)26)7-8-17(15)18/h3-10H,11H2,1-2H3,(H,22,26)(H,23,24,25)