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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dibenzyl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-dibenzyl-acetamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

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