N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C25H18N6O4S MolecularWeight: 498.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H18N6O4S/c1-15-12-20-21(29-30(28-20)17-7-3-2-4-8-17)14-19(15)26-25(36)27-24(32)23-11-10-22(35-23)16-6-5-9-18(13-16)31(33)34/h2-14H,1H3,(H2,26,27,32,36)