N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C19H17N5OS3 MolecularWeight: 427.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5OS3/c1-2-26-19-22-21-18(28-19)20-17(25)14-12-24(11-13-7-4-3-5-8-13)23-16(14)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21,25)