7-methylsulfanyl-5-oxidanylidene-1,4-diphenyl-3-piperidin-1-yl-1,2,4-triazepine-6-carbonitrile

Systemtic Name: 7-methylsulfanyl-5-oxidanylidene-1,4-diphenyl-3-piperidin-1-yl-1,2,4-triazepine-6-carbonitrile Openeye Name: 7-methylsulfanyl-5-oxo-1,4-diphenyl-3-(1-piperidyl)-1,2,4-triazepine-6-carbonitrile CAS Name: 7-(methylthio)-5-oxo-1,4-diphenyl-3-(1-piperidinyl)-1,2,4-triazepine-6-carbonitrile IUPAC Name: 7-methylsulfanyl-5-oxo-1,4-diphenyl-3-piperidin-1-yl-1,2,4-triazepine-6-carbonitrile Traditional Name: 5-keto-7-(methylthio)-1,4-diphenyl-3-piperidino-1,2,4-triazepine-6-carbonitrile Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=NN1C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=O)N(C(=NN1C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H23N5OS/c1-30-22-20(17-24)21(29)27(18-11-5-2-6-12-18)23(26-15-9-4-10-16-26)25-28(22)19-13-7-3-8-14-19/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3