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

Systemtic Name: azepan-1-yl-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N5OS/c1-24-20(18-9-5-4-6-10-18)23-27(22(24)29)17-25-15-11-19(12-16-25)21(28)26-13-7-2-3-8-14-26/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3