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

Systemtic Name: 5-azanyl-4-methyl-1-[3-[(4-methylphenyl)methylsulfanyl]butanoyl]-2H-pyrrole-5-carbonitrile Openeye Name: 5-amino-4-methyl-1-[3-(p-tolylmethylsulfanyl)butanoyl]-2H-pyrrole-5-carbonitrile CAS Name: 5-amino-4-methyl-1-[3-[(4-methylphenyl)methylthio]-1-oxobutyl]-2H-pyrrole-5-carbonitrile IUPAC Name: 5-amino-4-methyl-1-[3-[(4-methylphenyl)methylsulfanyl]butanoyl]-2H-pyrrole-5-carbonitrile Traditional Name: 2-amino-3-methyl-1-[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=CCN(C1(C#N)N)C(=O)CC(C)SCC2=CC=C(C=C2)C

Isomeric SMILES

CC1=CCN(C1(C#N)N)C(=O)CC(C)SCC2=CC=C(C=C2)C

InChI

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