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

Systemtic Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-3-ylpropylsulfanyl)-1,2,4-triazole Openeye Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-3-ylpropylsulfanyl)-1,2,4-triazole CAS Name: 1-(3,4-dichlorophenyl)-5-methyl-3-[3-(3-pyrrolidinyl)propylthio]-1,2,4-triazole IUPAC Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-3-ylpropylsulfanyl)-1,2,4-triazole Traditional Name: 1-(3,4-dichlorophenyl)-5-methyl-3-(3-pyrrolidin-3-ylpropylthio)-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)SCCCC3CCNC3

Isomeric SMILES

CC1=NC(=NN1C2=CC(=C(C=C2)Cl)Cl)SCCCC3CCNC3

InChI

InChI=1S/C16H20Cl2N4S/c1-11-20-16(23-8-2-3-12-6-7-19-10-12)21-22(11)13-4-5-14(17)15(18)9-13/h4-5,9,12,19H,2-3,6-8,10H2,1H3