6-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(2-keto-2-piperidino-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c28-20-12-6-5-11-19(20)22-24-25-23(27(22)16-13-18-9-3-1-4-10-18)30-17-21(29)26-14-7-2-8-15-26/h1,3-6,9-12,24H,2,7-8,13-17H2