3-(phenylmethylsulfanyl)-4-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(phenylmethylsulfanyl)-4-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzylsulfanyl-4-[(Z)-[4-(1-piperidyl)phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(phenylmethylthio)-4-[(Z)-[4-(1-piperidinyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzylsulfanyl-4-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(benzylthio)-4-[(Z)-(4-piperidinobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C21H23N5S2 MolecularWeight: 409.57082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=NN3C(=S)NN=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=N\N3C(=S)NN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5S2/c27-20-23-24-21(28-16-18-7-3-1-4-8-18)26(20)22-15-17-9-11-19(12-10-17)25-13-5-2-6-14-25/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,23,27)/b22-15-