7-methyl-6-propan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarin Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NN3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NN3)C(C)C

InChI

InChI=1S/C16H17N3O2S/c1-9(2)12-6-13-11(7-22-16-17-8-18-19-16)5-15(20)21-14(13)4-10(12)3/h4-6,8-9H,7H2,1-3H3,(H,17,18,19)