3-phenethylsulfanyl-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-phenethylsulfanyl-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-phenethylsulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-(phenethylthio)-4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-phenethylsulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(phenethylthio)-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-3-9-19(10-4-1)13-16-27-22-24-23-21(18-25-14-7-8-15-25)26(22)17-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2