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

Systemtic Name: 4-(phenylmethyl)-3-(phenylmethylsulfanyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-benzylsulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 4-(phenylmethyl)-3-(phenylmethylthio)-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-benzylsulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(benzylthio)-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-3-9-18(10-4-1)15-25-20(16-24-13-7-8-14-24)22-23-21(25)26-17-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2