[4-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-piperidin-1-yl-methanone Openeye Name: 1-piperidyl-[4-[[5-[(E)-styryl]-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]methanone CAS Name: [4-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[5-[(E)-2-phenylethenyl]-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-piperidin-1-ylmethanone Traditional Name: piperidino-[4-[[5-[(E)-styryl]-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]methanone Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=S)N=C(N3)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c28-21(25-11-5-2-6-12-25)26-15-13-24(14-16-26)17-27-20(29)22-19(23-27)10-9-18-7-3-1-4-8-18/h1,3-4,7-10H,2,5-6,11-17H2,(H,22,23,29)/b10-9+