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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-phenyl-butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-phenyl-butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-phenylbutanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-phenylbutanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-phenyl-butyramide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C19H21N5OS/c1-2-16(17(25)21-15-11-7-4-8-12-15)24-18(20)22-23-19(24)26-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H2,20,22)(H,21,25)