2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylazanylphenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylazanylphenyl)-N-propan-2-yl-ethanamide Openeye Name: N-(4-anilinophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: N-(4-anilinophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: N-(4-anilinophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-(4-anilinophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(C3=CC=C(C=C3)NC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(C3=CC=C(C=C3)NC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H29N5OS/c1-4-20-10-12-21(13-11-20)26-29-27(31-30-26)34-18-25(33)32(19(2)3)24-16-14-23(15-17-24)28-22-8-6-5-7-9-22/h5-17,19,28H,4,18H2,1-3H3,(H,29,30,31)