4-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-methoxyphenyl)-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-methoxyphenyl)-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-(4-methoxyphenyl)-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C(C)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C(C)N5CCCCC5

InChI

InChI=1S/C27H30N4O3S/c1-18-7-12-23-20(16-25(32)34-24(23)15-18)17-35-27-29-28-26(19(2)30-13-5-4-6-14-30)31(27)21-8-10-22(33-3)11-9-21/h7-12,15-16,19H,4-6,13-14,17H2,1-3H3