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

Systemtic Name: 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C20H17N3O2S/c1-12-21-22-20(23(12)15-7-8-15)26-11-14-10-18(24)25-17-9-6-13-4-2-3-5-16(13)19(14)17/h2-6,9-10,15H,7-8,11H2,1H3