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

Systemtic Name: azepan-1-yl-[1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-benzyl-3-methyl-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=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5OS/c1-19-24-28(23(30)27(19)17-20-9-5-4-6-10-20)18-25-15-11-21(12-16-25)22(29)26-13-7-2-3-8-14-26/h4-6,9-10,21H,2-3,7-8,11-18H2,1H3