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

Systemtic Name: 4-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C24H23N3O2S/c1-2-16-8-11-20-19(13-22(28)29-21(20)12-16)15-30-24-26-25-23(18-9-10-18)27(24)14-17-6-4-3-5-7-17/h3-8,11-13,18H,2,9-10,14-15H2,1H3