3-[2-[5-chloranyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-propanamide

Systemtic Name: 3-[2-[5-chloranyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-propanamide Openeye Name: 3-[2-(1-benzyl-5-chloro-triazol-4-yl)-2-oxo-ethyl]sulfanyl-N-phenyl-propanamide CAS Name: 3-[[2-[5-chloro-1-(phenylmethyl)-4-triazolyl]-2-oxoethyl]thio]-N-phenylpropanamide IUPAC Name: 3-[2-(1-benzyl-5-chlorotriazol-4-yl)-2-oxoethyl]sulfanyl-N-phenylpropanamide Traditional Name: 3-[[2-(1-benzyl-5-chloro-triazol-4-yl)-2-keto-ethyl]thio]-N-phenyl-propionamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)CSCCC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)CSCCC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H19ClN4O2S/c21-20-19(23-24-25(20)13-15-7-3-1-4-8-15)17(26)14-28-12-11-18(27)22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,27)