N-(cyclohexen-1-yl)-N-ethyl-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-ethyl-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(cyclohexen-1-yl)-N-ethyl-acetamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS/c1-2-28(21-14-8-4-9-15-21)24(30)19-31-25-27-26-23(18-20-12-6-3-7-13-20)29(25)22-16-10-5-11-17-22/h3,5-7,10-14,16-17H,2,4,8-9,15,18-19H2,1H3