N-(phenylmethyl)-5-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(phenylmethyl)-5-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(phenylmethyl)-5-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C21H21N7OS2 MolecularWeight: 451.56774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N7OS2/c1-2-12-28-18(16-8-10-22-11-9-16)25-27-21(28)30-14-17-24-26-20(31-17)19(29)23-13-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,23,29)