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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylazanylphenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-anilinophenyl)-N-isopropyl-acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-anilinophenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-anilinophenyl)-N-propan-2-ylacetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-anilinophenyl)-N-isopropyl-acetamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N6O2S/c1-18(2)31(22-13-11-21(12-14-22)28-20-7-5-4-6-8-20)24(33)17-35-26-30-29-25(32(26)27)19-9-15-23(34-3)16-10-19/h4-16,18,28H,17,27H2,1-3H3