[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate

Systemtic Name: [4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate Openeye Name: [4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl ester IUPAC Name: [4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl ester Formula: C20H19BrN4S2 MolecularWeight: 459.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCSC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCSC#N

InChI

InChI=1S/C20H19BrN4S2/c1-20(2,3)15-6-4-14(5-7-15)18-23-24-19(27-13-26-12-22)25(18)17-10-8-16(21)9-11-17/h4-11H,13H2,1-3H3