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

Systemtic Name: 1-[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]-2,5-dihydropyrrole-2-carbonitrile Openeye Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]-2,5-dihydropyrrole-2-carbonitrile CAS Name: 1-[2-amino-3-[(4-methoxyphenyl)methylthio]-3-methyl-1-oxobutyl]-2,5-dihydropyrrole-2-carbonitrile IUPAC Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoyl]-2,5-dihydropyrrole-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-(p-anisylthio)butanoyl]-3-pyrroline-2-carbonitrile Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC=CC1C#N)N)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C(C(=O)N1CC=CC1C#N)N)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O2S/c1-18(2,24-12-13-6-8-15(23-3)9-7-13)16(20)17(22)21-10-4-5-14(21)11-19/h4-9,14,16H,10,12,20H2,1-3H3