3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C18H16ClN3S MolecularWeight: 341.85774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H16ClN3S/c19-15-6-4-5-13(11-15)12-23-18-21-20-17(14-9-10-14)22(18)16-7-2-1-3-8-16/h1-8,11,14H,9-10,12H2