7-ethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H19N3O2S/c1-3-14-6-9-17-16(11-19(25)26-18(17)10-14)12-27-21-22-20(23-24-21)15-7-4-13(2)5-8-15/h4-11H,3,12H2,1-2H3,(H,22,23,24)