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

Systemtic Name: 1-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=CS6

InChI

InChI=1S/C23H17N3O2S2/c27-20-12-15(21-17-5-2-1-4-14(17)7-10-18(21)28-20)13-30-23-25-24-22(19-6-3-11-29-19)26(23)16-8-9-16/h1-7,10-12,16H,8-9,13H2