4-ethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C26H20N6O4S MolecularWeight: 512.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O4S/c1-2-36-24-13-10-17(14-23(24)32(34)35)25(33)28-26(37)27-18-11-12-20-21(15-18)30-31(29-20)22-9-5-7-16-6-3-4-8-19(16)22/h3-15H,2H2,1H3,(H2,27,28,33,37)