4-chloranyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C16H17ClN4O3S3 MolecularWeight: 444.97918

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H17ClN4O3S3/c1-2-9-25-16-20-19-15(26-16)18-14(22)11-5-6-12(17)13(10-11)27(23,24)21-7-3-4-8-21/h2,5-6,10H,1,3-4,7-9H2,(H,18,19,22)