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

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C20H18N6OS2/c1-13-21-9-7-16(22-13)14-4-2-5-15(12-14)23-18(27)8-10-26-19(24-25-20(26)28)17-6-3-11-29-17/h2-7,9,11-12H,8,10H2,1H3,(H,23,27)(H,25,28)