4-[(E)-(3-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(3-bromophenyl)methyleneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-bromophenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(3-bromobenzylidene)amino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H19BrN4S MolecularWeight: 415.34996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrN4S/c1-19(2,3)15-9-7-14(8-10-15)17-22-23-18(25)24(17)21-12-13-5-4-6-16(20)11-13/h4-12H,1-3H3,(H,23,25)/b21-12+