1-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C24H19N3O2S2 MolecularWeight: 445.55656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)CC6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)CC6=CC=CS6

InChI

InChI=1S/C24H19N3O2S2/c28-22-12-16(23-19-6-2-1-4-15(19)7-10-20(23)29-22)14-31-24-26-25-21(27(24)17-8-9-17)13-18-5-3-11-30-18/h1-7,10-12,17H,8-9,13-14H2