[5-nitro-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]phenyl]-phenyl-methanone

Systemtic Name: [5-nitro-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]phenyl]-phenyl-methanone Openeye Name: [5-nitro-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylamino]phenyl]-phenyl-methanone CAS Name: [5-nitro-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]phenyl]-phenylmethanone IUPAC Name: [5-nitro-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]phenyl]-phenylmethanone Traditional Name: [5-nitro-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylamino]phenyl]-phenyl-methanone Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O3S/c28-21(15-7-3-1-4-8-15)18-13-17(27(29)30)11-12-19(18)23-14-20-24-25-22(31)26(20)16-9-5-2-6-10-16/h1-13,23H,14H2,(H,25,31)