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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylazanylphenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-anilinophenyl)-N-isopropyl-acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-anilinophenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-anilinophenyl)-N-propan-2-ylacetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-anilinophenyl)-N-isopropyl-acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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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)C4CC4

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C22H26N6OS/c1-15(2)27(19-12-10-18(11-13-19)24-17-6-4-3-5-7-17)20(29)14-30-22-26-25-21(28(22)23)16-8-9-16/h3-7,10-13,15-16,24H,8-9,14,23H2,1-2H3