3-chloranyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzothiophene-2-carboxamide Formula: C19H14ClN3OS3 MolecularWeight: 431.98196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H14ClN3OS3/c1-11-6-2-3-7-12(11)10-25-19-23-22-18(27-19)21-17(24)16-15(20)13-8-4-5-9-14(13)26-16/h2-9H,10H2,1H3,(H,21,22,24)