[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1Z)-N-anilino-2-oxo-propanimidothioate CAS Name: (1Z)-N-anilino-2-oxopropanimidothioic acid [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1Z)-N-anilino-2-oxopropanimidothioate Traditional Name: (1Z)-N-anilino-2-keto-thiopropionimidic acid [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] ester Formula: C23H17Cl2N5OS MolecularWeight: 482.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=CC=C1)/SC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H17Cl2N5OS/c1-15(31)22(28-26-17-8-4-2-5-9-17)32-23-29-27-21(19-13-12-16(24)14-20(19)25)30(23)18-10-6-3-7-11-18/h2-14,26H,1H3/b28-22-