N-[3-[4-(3-chloranyl-4-methoxy-phenyl)-5-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(3-chloranyl-4-methoxy-phenyl)-5-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3-chloro-4-methoxy-phenyl)-5-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-chloro-4-methoxyphenyl)-5-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-chloro-4-methoxyphenyl)-5-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3-chloro-4-methoxy-phenyl)-5-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C28H33ClN4O3S MolecularWeight: 541.10462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C28H33ClN4O3S/c1-19(34)30-16-6-9-27-31-32-28(33(27)23-14-15-26(36-2)24(29)17-23)37-18-25(35)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h10-15,17,20H,3-9,16,18H2,1-2H3,(H,30,34)