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

Systemtic Name: 1-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C28H26N4O2S/c33-26-17-21(27-23-12-6-5-9-20(23)13-14-24(27)34-26)19-35-28-30-29-25(18-31-15-7-2-8-16-31)32(28)22-10-3-1-4-11-22/h1,3-6,9-14,17H,2,7-8,15-16,18-19H2