2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C15H17ClN4OS MolecularWeight: 336.83968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C15H17ClN4OS/c1-11-4-5-12(8-13(11)16)20-10-17-18-15(20)22-9-14(21)19-6-2-3-7-19/h4-5,8,10H,2-3,6-7,9H2,1H3