5-cyclopropyl-3-[(4-phenylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-cyclopropyl-3-[(4-phenylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(4-phenylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(4-phenylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(4-phenylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(4-phenylbenzyl)thio]-1H-1,2,4-triazole Formula: C18H17N3S MolecularWeight: 307.41268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H17N3S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-22-18-19-17(20-21-18)16-10-11-16/h1-9,16H,10-12H2,(H,19,20,21)