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

Systemtic Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C22H15N3O2S/c26-19-12-16(20-17-9-5-4-6-14(17)10-11-18(20)27-19)13-28-22-23-21(24-25-22)15-7-2-1-3-8-15/h1-12H,13H2,(H,23,24,25)