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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-chlorobenzyl)thio]-5-cyclopropyl-1,2,4-triazole Formula: C19H18ClN3S MolecularWeight: 355.88432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN3S/c20-17-10-6-15(7-11-17)13-24-19-22-21-18(16-8-9-16)23(19)12-14-4-2-1-3-5-14/h1-7,10-11,16H,8-9,12-13H2