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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(diphenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzhydryl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-benzhydrylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzhydryl-acetamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C22H20N6OS/c23-28-21(18-12-7-13-24-14-18)26-27-22(28)30-15-19(29)25-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15,23H2,(H,25,29)