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

Systemtic Name: 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C22H19N3O2S/c26-19-11-15(20-17-4-2-1-3-13(17)7-10-18(20)27-19)12-28-22-24-23-21(14-5-6-14)25(22)16-8-9-16/h1-4,7,10-11,14,16H,5-6,8-9,12H2