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

Systemtic Name: azepan-1-yl-[1-[[4-methyl-3-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[4-methyl-3-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-methyl-3-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[[4-methyl-3-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[4-methyl-3-(m-tolyl)-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:

CC1=CC=CC(=C1)C2=NN(C(=S)N2C)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C(=S)N2C)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5OS/c1-18-8-7-9-20(16-18)21-24-28(23(30)25(21)2)17-26-14-10-19(11-15-26)22(29)27-12-5-3-4-6-13-27/h7-9,16,19H,3-6,10-15,17H2,1-2H3