N-[(E)-(3-bromophenyl)methylideneamino]-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-3-isobutylsulfanyl-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(2-methylpropylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: [(E)-(3-bromobenzylidene)amino]-[3-(isobutylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C13H16BrN5S MolecularWeight: 354.26864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NNC(=N1)NN=CC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)CSC1=NNC(=N1)N/N=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H16BrN5S/c1-9(2)8-20-13-16-12(18-19-13)17-15-7-10-4-3-5-11(14)6-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19)/b15-7+