[4-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-(1-piperidyl)methanone CAS Name: [4-[[4-(phenylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(4-benzyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone Traditional Name: [4-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-piperidino-methanone Formula: C25H31N7OS MolecularWeight: 477.62494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H31N7OS/c33-24(29-12-5-2-6-13-29)30-16-14-28(15-17-30)20-32-25(34)31(19-21-8-3-1-4-9-21)23(27-32)22-10-7-11-26-18-22/h1,3-4,7-11,18H,2,5-6,12-17,19-20H2