4-(2-cyanoethyl)-4-(5-methylthiophen-2-yl)carbonyl-heptanedinitrile

Systemtic Name: 4-(2-cyanoethyl)-4-(5-methylthiophen-2-yl)carbonyl-heptanedinitrile Openeye Name: 4-(2-cyanoethyl)-4-(5-methylthiophene-2-carbonyl)heptanedinitrile CAS Name: 4-(2-cyanoethyl)-4-[(5-methyl-2-thiophenyl)-oxomethyl]heptanedinitrile IUPAC Name: 4-(2-cyanoethyl)-4-(5-methylthiophene-2-carbonyl)heptanedinitrile Traditional Name: 4-(2-cyanoethyl)-4-(5-methylthiophene-2-carbonyl)pimelonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)C(CCC#N)(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(S1)C(=O)C(CCC#N)(CCC#N)CCC#N

InChI

InChI=1S/C16H17N3OS/c1-13-5-6-14(21-13)15(20)16(7-2-10-17,8-3-11-18)9-4-12-19/h5-6H,2-4,7-9H2,1H3