2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C18H19ClN6O3S3 MolecularWeight: 499.02986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C18H19ClN6O3S3/c19-13-6-5-12(31(27,28)24-7-1-2-8-24)10-14(13)21-16(26)11-30-18-23-22-17(25(18)20)15-4-3-9-29-15/h3-6,9-10H,1-2,7-8,11,20H2,(H,21,26)