4-(benzotriazol-1-ylmethyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-(4-nitrophenyl)thiazol-2-amine CAS Name: 4-(1-benzotriazolylmethyl)-N-(4-nitrophenyl)-2-thiazolamine IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine Traditional Name: [4-(benzotriazol-1-ylmethyl)thiazol-2-yl]-(4-nitrophenyl)amine Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CSC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CSC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O2S/c23-22(24)13-7-5-11(6-8-13)17-16-18-12(10-25-16)9-21-15-4-2-1-3-14(15)19-20-21/h1-8,10H,9H2,(H,17,18)