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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-[(4-methylphenyl)methyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(4-methylbenzyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C25H32N4S MolecularWeight: 420.61338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4CCCN4

InChI

InChI=1S/C25H32N4S/c1-18-7-9-19(10-8-18)16-29-23(22-6-5-15-26-22)27-28-24(29)30-17-20-11-13-21(14-12-20)25(2,3)4/h7-14,22,26H,5-6,15-17H2,1-4H3