2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-dimethylaminophenyl)ethanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-dimethylaminophenyl)acetamide Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C19H22N6OS/c1-24(2)16-10-8-15(9-11-16)21-17(26)12-25-18(20)22-23-19(25)27-13-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,22)(H,21,26)