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

Systemtic Name: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(3-oxidanylbutyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-bromophenyl)methyleneamino]-3-(3-hydroxybutyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(3-hydroxybutyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-bromophenyl)methylideneamino]-3-(3-hydroxybutyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-bromobenzylidene)amino]-3-(3-hydroxybutyl)-1H-1,2,4-triazole-5-thione Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(CCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H15BrN4OS/c1-9(19)2-7-12-16-17-13(20)18(12)15-8-10-3-5-11(14)6-4-10/h3-6,8-9,19H,2,7H2,1H3,(H,17,20)/b15-8+