N-[3-(imidazol-1-ylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H18N6OS2 MolecularWeight: 410.51582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)CN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)CN4C=CN=C4

InChI

InChI=1S/C19H18N6OS2/c26-17(6-8-25-18(22-23-19(25)27)16-5-2-10-28-16)21-15-4-1-3-14(11-15)12-24-9-7-20-13-24/h1-5,7,9-11,13H,6,8,12H2,(H,21,26)(H,23,27)