5-(benzotriazol-1-ylmethyl)-N-[(E)-(2-bromophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(benzotriazol-1-ylmethyl)-N-[(E)-(2-bromophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(benzotriazol-1-ylmethyl)-N-[(E)-(2-bromophenyl)methyleneamino]-1,3,4-thiadiazol-2-amine CAS Name: 5-(1-benzotriazolylmethyl)-N-[(E)-(2-bromophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(benzotriazol-1-ylmethyl)-N-[(E)-(2-bromophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine Traditional Name: [5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-[(E)-(2-bromobenzylidene)amino]amine Formula: C16H12BrN7S MolecularWeight: 414.28238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC2=NN=C(S2)CN3C4=CC=CC=C4N=N3)Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC2=NN=C(S2)CN3C4=CC=CC=C4N=N3)Br

InChI

InChI=1S/C16H12BrN7S/c17-12-6-2-1-5-11(12)9-18-21-16-22-20-15(25-16)10-24-14-8-4-3-7-13(14)19-23-24/h1-9H,10H2,(H,21,22)/b18-9+