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

Systemtic Name: 8-methyl-7-oxidanyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-coumarin Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=CN3C(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=CN3C(C)C)O

InChI

InChI=1S/C16H17N3O3S/c1-9(2)19-8-17-18-16(19)23-7-11-6-14(21)22-15-10(3)13(20)5-4-12(11)15/h4-6,8-9,20H,7H2,1-3H3