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

Systemtic Name: 8-ethoxy-4-(4-nitrophenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-4-(4-nitrophenyl)-2-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-4-(4-nitrophenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-4-(4-nitrophenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-4-(4-nitrophenyl)-2-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O3S/c1-2-27-15-9-10-16-17(12-15)22-20(18-4-3-11-28-18)23-19(21-16)13-5-7-14(8-6-13)24(25)26/h3-12H,2H2,1H3,(H,21,22,23)