N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H22N6OS2/c1-25(13-17-12-22-26(15-17)14-16-6-3-2-4-7-16)19(28)9-10-27-20(23-24-21(27)29)18-8-5-11-30-18/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,29)