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

Systemtic Name: 1-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)N6CCCCC6

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)N6CCCCC6

InChI

InChI=1S/C29H28N4O2S/c1-20(32-16-8-3-9-17-32)28-30-31-29(33(28)23-11-4-2-5-12-23)36-19-22-18-26(34)35-25-15-14-21-10-6-7-13-24(21)27(22)25/h2,4-7,10-15,18,20H,3,8-9,16-17,19H2,1H3