N-(4-methylphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methylphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methylphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-methylphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6OS/c1-12-7-9-14(10-8-12)19-17-21-18(23-22-17)26-11-15-20-16(24-25-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21,22,23)