N-[1-(1H-indol-3-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]pyridine-4-carboxamide

Systemtic Name: N-[1-(1H-indol-3-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]pyridine-4-carboxamide Openeye Name: N-[1-(1H-indol-3-ylmethyl)-3-phenyl-5-thioxo-1,2,4-triazol-4-yl]pyridine-4-carboxamide CAS Name: N-[1-(1H-indol-3-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]-4-pyridinecarboxamide IUPAC Name: N-[1-(1H-indol-3-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]pyridine-4-carboxamide Traditional Name: N-[1-(1H-indol-3-ylmethyl)-3-phenyl-5-thioxo-1,2,4-triazol-4-yl]isonicotinamide Formula: C23H18N6OS MolecularWeight: 426.49362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=S)N2NC(=O)C3=CC=NC=C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=S)N2NC(=O)C3=CC=NC=C3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H18N6OS/c30-22(17-10-12-24-13-11-17)27-29-21(16-6-2-1-3-7-16)26-28(23(29)31)15-18-14-25-20-9-5-4-8-19(18)20/h1-14,25H,15H2,(H,27,30)