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

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-[(2-phenylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(2-phenylphenyl)methylsulfanyl]-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-[(4-methylphenyl)methyl]-3-[(2-phenylphenyl)methylthio]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-[(4-methylphenyl)methyl]-3-[(2-phenylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-(4-methylbenzyl)-3-[(2-phenylbenzyl)thio]-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C27H28N4S MolecularWeight: 440.60302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C4=CC=CC=C4)C5CCCN5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C4=CC=CC=C4)C5CCCN5

InChI

InChI=1S/C27H28N4S/c1-20-13-15-21(16-14-20)18-31-26(25-12-7-17-28-25)29-30-27(31)32-19-23-10-5-6-11-24(23)22-8-3-2-4-9-22/h2-6,8-11,13-16,25,28H,7,12,17-19H2,1H3