2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O2S/c1-4-16(5-2)24-20(28)14-30-22-26-25-21(15-9-7-6-8-10-15)27(22)17-11-12-19(29-3)18(23)13-17/h6-13,16H,4-5,14H2,1-3H3,(H,24,28)