N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(pyridin-4-ylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: [(E)-1-(4-bromophenyl)ethylideneamino]-[3-(4-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C16H15BrN6S MolecularWeight: 403.2995

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=NC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=NC=C2)/C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN6S/c1-11(13-2-4-14(17)5-3-13)20-21-15-19-16(23-22-15)24-10-12-6-8-18-9-7-12/h2-9H,10H2,1H3,(H2,19,21,22,23)/b20-11+