3-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(diphenylmethyl)propanamide

Systemtic Name: 3-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(diphenylmethyl)propanamide Openeye Name: 3-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzhydryl-propanamide CAS Name: 3-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(diphenylmethyl)propanamide IUPAC Name: 3-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-benzhydrylpropanamide Traditional Name: 3-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzhydryl-propionamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C23H22N6OS/c24-29-22(19-12-7-14-25-16-19)27-28-23(29)31-15-13-20(30)26-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,21H,13,15,24H2,(H,26,30)