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

Systemtic Name: [4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-(1-piperidyl)methanone CAS Name: [4-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone Traditional Name: [4-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-piperidino-methanone Formula: C21H29N7OS MolecularWeight: 427.56626

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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)C5CC5

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5

InChI

InChI=1S/C21H29N7OS/c29-20(25-9-2-1-3-10-25)26-13-11-24(12-14-26)16-27-21(30)28(18-6-7-18)19(23-27)17-5-4-8-22-15-17/h4-5,8,15,18H,1-3,6-7,9-14,16H2