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

Systemtic Name: 3-cyclopropyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[[4-(methylthio)phenyl]methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[[4-(methylthio)benzyl]thio]-1,2,4-triazole Formula: C20H21N3S2 MolecularWeight: 367.53084

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CSC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H21N3S2/c1-24-18-11-7-16(8-12-18)14-25-20-22-21-19(17-9-10-17)23(20)13-15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13-14H2,1H3