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

Systemtic Name: 7-methyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C

InChI

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