azepan-1-yl-[1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methanone Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H33N5OS/c1-2-27-21(19-10-6-5-7-11-19)24-28(23(27)30)18-25-16-12-20(13-17-25)22(29)26-14-8-3-4-9-15-26/h5-7,10-11,20H,2-4,8-9,12-18H2,1H3