1-[2-azanyl-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoyl]-2,5-dihydropyrrole-2-carbonitrile

Systemtic Name: 1-[2-azanyl-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoyl]-2,5-dihydropyrrole-2-carbonitrile Openeye Name: 1-[2-amino-3-methyl-3-(p-tolylmethylsulfanyl)butanoyl]-2,5-dihydropyrrole-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-3-[(4-methylphenyl)methylthio]-1-oxobutyl]-2,5-dihydropyrrole-2-carbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-[(4-methylphenyl)methylsulfanyl]butanoyl]-2,5-dihydropyrrole-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-[(4-methylbenzyl)thio]butanoyl]-3-pyrroline-2-carbonitrile Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(C)(C)C(C(=O)N2CC=CC2C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC(C)(C)C(C(=O)N2CC=CC2C#N)N

InChI

InChI=1S/C18H23N3OS/c1-13-6-8-14(9-7-13)12-23-18(2,3)16(20)17(22)21-10-4-5-15(21)11-19/h4-9,15-16H,10,12,20H2,1-3H3