[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c26-19(13-4-2-1-3-5-13)15-8-11-18(17(12-15)25(27)28)29-21-23-22-20(14-6-7-14)24(21)16-9-10-16/h1-5,8,11-12,14,16H,6-7,9-10H2