N-(4-phenylazanylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(4-phenylazanylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(4-anilinophenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-anilinophenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(4-anilinophenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-anilinophenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H19N5OS2/c27-19(12-13-26-20(24-25-21(26)28)18-7-4-14-29-18)23-17-10-8-16(9-11-17)22-15-5-2-1-3-6-15/h1-11,14,22H,12-13H2,(H,23,27)(H,25,28)