2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H30N4O2S2 MolecularWeight: 482.6613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C25H30N4O2S2/c1-18(30)22(15-19-9-4-2-5-10-19)26-24(31)17-33-25-28-27-23(16-21-13-8-14-32-21)29(25)20-11-6-3-7-12-20/h2,4-5,8-10,13-14,20,22H,3,6-7,11-12,15-17H2,1H3,(H,26,31)