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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4S/c21-17-8-6-7-16(13-17)15-26-20-23-22-19(14-24-11-4-5-12-24)25(20)18-9-2-1-3-10-18/h1-3,6-10,13H,4-5,11-12,14-15H2