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

Systemtic Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4CC4)C

InChI

InChI=1S/C18H19N3O2S/c1-10-4-7-14-13(8-15(22)23-16(14)11(10)2)9-24-18-20-19-17(21(18)3)12-5-6-12/h4,7-8,12H,5-6,9H2,1-3H3