7-ethyl-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethyl-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-5-(4-nitrophenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-(4-nitrophenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O2S/c1-2-13-5-10-17-16(12-13)19(14-6-8-15(9-7-14)24(25)26)22-23-20(21-17)18-4-3-11-27-18/h3-12,22H,2H2,1H3