(6Z)-6-[4-phenethyl-3-(2-piperidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[4-phenethyl-3-(2-piperidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-phenethyl-3-[2-(1-piperidyl)ethylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-phenethyl-3-[2-(1-piperidinyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-phenethyl-3-(2-piperidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[4-phenethyl-3-(2-piperidinoethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NNC(=C3C=CC=CC3=O)N2CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NN/C(=C\3/C=CC=CC3=O)/N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c28-21-12-6-5-11-20(21)22-24-25-23(29-18-17-26-14-7-2-8-15-26)27(22)16-13-19-9-3-1-4-10-19/h1,3-6,9-12,24H,2,7-8,13-18H2/b22-20+