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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NN=C(S3)NN=CC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NN=C(S3)N/N=C/C4=CC(=CC=C4)Br

InChI

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