3-(4-tert-butylphenyl)-5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(4-tert-butylphenyl)-5-ethylsulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-tert-butylphenyl)-5-ethylsulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(ethylthio)-1,2,4-triazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25N3S/c1-5-25-20-23-22-19(24(20)15-16-9-7-6-8-10-16)17-11-13-18(14-12-17)21(2,3)4/h6-14H,5,15H2,1-4H3