3-[1-(2-chlorophenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[1-(2-chlorophenyl)ethylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[1-(2-chlorophenyl)ethylthio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H23ClN4S/c1-16(18-11-5-6-12-19(18)22)27-21-24-23-20(15-25-13-7-8-14-25)26(21)17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3