4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4CC4)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4CC4)C)O

InChI

InChI=1S/C17H17N3O3S/c1-9-14(21)6-5-13-11(7-15(22)23-16(9)13)8-24-17-19-18-10(2)20(17)12-3-4-12/h5-7,12,21H,3-4,8H2,1-2H3