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

Systemtic Name: [4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O3S/c29-22(16-7-3-1-4-8-16)18-13-14-21(20(15-18)28(30)31)32-24-26-25-23(17-11-12-17)27(24)19-9-5-2-6-10-19/h1-10,13-15,17H,11-12H2