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

Systemtic Name: 6-chloranyl-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4CC4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4CC4)C)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-9-5-15-13(7-14(9)18)11(6-16(22)23-15)8-24-17-20-19-10(2)21(17)12-3-4-12/h5-7,12H,3-4,8H2,1-2H3