N-[3-phenyl-5-sulfanylidene-1-[(1,3-thiazol-2-ylamino)methyl]-1,2,4-triazol-4-yl]pyridine-4-carboxamide

Systemtic Name: N-[3-phenyl-5-sulfanylidene-1-[(1,3-thiazol-2-ylamino)methyl]-1,2,4-triazol-4-yl]pyridine-4-carboxamide Openeye Name: N-[3-phenyl-1-[(thiazol-2-ylamino)methyl]-5-thioxo-1,2,4-triazol-4-yl]pyridine-4-carboxamide CAS Name: N-[3-phenyl-5-sulfanylidene-1-[(2-thiazolylamino)methyl]-1,2,4-triazol-4-yl]-4-pyridinecarboxamide IUPAC Name: N-[3-phenyl-5-sulfanylidene-1-[(1,3-thiazol-2-ylamino)methyl]-1,2,4-triazol-4-yl]pyridine-4-carboxamide Traditional Name: N-[3-phenyl-1-[(thiazol-2-ylamino)methyl]-5-thioxo-1,2,4-triazol-4-yl]isonicotinamide Formula: C18H15N7OS2 MolecularWeight: 409.488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=S)N2NC(=O)C3=CC=NC=C3)CNC4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=S)N2NC(=O)C3=CC=NC=C3)CNC4=NC=CS4

InChI

InChI=1S/C18H15N7OS2/c26-16(14-6-8-19-9-7-14)23-25-15(13-4-2-1-3-5-13)22-24(18(25)27)12-21-17-20-10-11-28-17/h1-11H,12H2,(H,20,21)(H,23,26)