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

Systemtic Name: 8-ethyl-2-(4-nitrophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-2-(4-nitrophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-2-(4-nitrophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-2-(4-nitrophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-2-(4-nitrophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

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