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

Systemtic Name: 7-methyl-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C24H19N3O2S2 MolecularWeight: 445.55656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H19N3O2S2/c1-16-9-10-19-18(13-22(28)29-20(19)12-16)15-31-24-26-25-23(21-8-5-11-30-21)27(24)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3