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

Systemtic Name: 1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(1-phenyl-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)N2C=NC(=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

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