N-(5-chloranylpyridin-2-yl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(5-chloro-2-pyridyl)benzamide CAS Name: N-(5-chloro-2-pyridinyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(5-chloropyridin-2-yl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(5-chloro-2-pyridyl)benzamide Formula: C21H15ClN4OS3 MolecularWeight: 471.018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN4OS3/c22-16-8-11-18(23-12-16)24-19(27)15-6-9-17(10-7-15)26-21(28)30-20(25-26)29-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24,27)