3-[(4-tert-butylphenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-tert-butylbenzyl)thio]-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C24H30N4S MolecularWeight: 406.5868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CCCN4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CCCN4

InChI

InChI=1S/C24H30N4S/c1-24(2,3)20-13-11-19(12-14-20)17-29-23-27-26-22(21-10-7-15-25-21)28(23)16-18-8-5-4-6-9-18/h4-6,8-9,11-14,21,25H,7,10,15-17H2,1-3H3