4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)CC4CCCC4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)CC4CCCC4)O

InChI

InChI=1S/C20H23N3O3S/c1-2-13-8-15-14(9-19(25)26-17(15)10-16(13)24)11-27-20-21-18(22-23-20)7-12-5-3-4-6-12/h8-10,12,24H,2-7,11H2,1H3,(H,21,22,23)