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

Systemtic Name: 1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C19H17N3O2S/c1-11(2)18-20-19(22-21-18)25-10-13-9-16(23)24-15-8-7-12-5-3-4-6-14(12)17(13)15/h3-9,11H,10H2,1-2H3,(H,20,21,22)