2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenyl-butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenyl-butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenyl-butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-phenylbutanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenylbutanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-phenyl-butyramide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H23N5OS/c1-2-17(18(26)22-16-11-7-4-8-12-16)25-19(21)23-24-20(25)27-14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H2,21,23)(H,22,26)