1-cyclopropyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]-1,2,4-triazol-3-amine

Systemtic Name: 1-cyclopropyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]-1,2,4-triazol-3-amine Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-1-cyclopropyl-1,2,4-triazol-3-amine CAS Name: 1-cyclopropyl-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-1,2,4-triazol-3-amine IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-1-cyclopropyl-1,2,4-triazol-3-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(1-cyclopropyl-1,2,4-triazol-3-yl)amine Formula: C14H15N7S MolecularWeight: 313.3808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NC(=N2)NC3=NC(=NN3)SCC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C=NC(=N2)NC3=NC(=NN3)SCC4=CC=CC=C4

InChI

InChI=1S/C14H15N7S/c1-2-4-10(5-3-1)8-22-14-17-13(18-19-14)16-12-15-9-21(20-12)11-6-7-11/h1-5,9,11H,6-8H2,(H2,16,17,18,19,20)