1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)-1,2,4-triazole Openeye Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)-1,2,4-triazole CAS Name: 1-(3,4-dichlorophenyl)-5-methyl-3-[3-(1-pyrrolidinyl)propylthio]-1,2,4-triazole IUPAC Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)-1,2,4-triazole Traditional Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidinopropylthio)-1,2,4-triazole Formula: C16H20Cl2N4S MolecularWeight: 371.3278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC(=C(C=C2)Cl)Cl)SCCCN3CCCC3

Isomeric SMILES

CC1=NC(=NN1C2=CC(=C(C=C2)Cl)Cl)SCCCN3CCCC3

InChI

InChI=1S/C16H20Cl2N4S/c1-12-19-16(23-10-4-9-21-7-2-3-8-21)20-22(12)13-5-6-14(17)15(18)11-13/h5-6,11H,2-4,7-10H2,1H3