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

Systemtic Name: 1-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5CC5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5CC5

InChI

InChI=1S/C21H19N3O2S/c1-2-24-20(14-7-8-14)22-23-21(24)27-12-15-11-18(25)26-17-10-9-13-5-3-4-6-16(13)19(15)17/h3-6,9-11,14H,2,7-8,12H2,1H3