4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCC4)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H22ClN3O3S/c1-30-17-10-11-18-15(12-22(29)31-21(18)13-17)14-32-24-27-26-23(19-8-4-5-9-20(19)25)28(24)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14H2,1H3