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

Systemtic Name: 3-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(3,4-dichlorophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(3,4-dichlorobenzyl)thio]-1,2,4-triazole Formula: C19H17Cl2N3S MolecularWeight: 390.32938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3S/c20-16-9-6-14(10-17(16)21)12-25-19-23-22-18(15-7-8-15)24(19)11-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12H2