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

Systemtic Name: 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3N)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3N)C4=CC=NC=C4

InChI

InChI=1S/C21H18N6OS/c22-27-20(16-10-12-23-13-11-16)25-26-21(27)29-14-19(28)24-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14,22H2,(H,24,28)