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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C

InChI

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