7-methyl-6-propan-2-yl-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-4-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C(C)C)C(C)C

InChI

InChI=1S/C19H23N3O2S/c1-10(2)14-8-15-13(7-17(23)24-16(15)6-12(14)5)9-25-19-20-18(11(3)4)21-22-19/h6-8,10-11H,9H2,1-5H3,(H,20,21,22)