4-methoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[6-methyl-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:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC5=CC=CC=C54

InChI

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