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

Systemtic Name: 5-(benzotriazol-1-ylmethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(benzotriazol-1-ylmethyl)-N-[(E)-(3-nitrophenyl)methyleneamino]-1,3,4-thiadiazol-2-amine CAS Name: 5-(1-benzotriazolylmethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(benzotriazol-1-ylmethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine Traditional Name: [5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-[(E)-(3-nitrobenzylidene)amino]amine Formula: C16H12N8O2S MolecularWeight: 380.38388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NN=C(S3)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NN=C(S3)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N8O2S/c25-24(26)12-5-3-4-11(8-12)9-17-20-16-21-19-15(27-16)10-23-14-7-2-1-6-13(14)18-22-23/h1-9H,10H2,(H,20,21)/b17-9+