1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CCC#N)C

InChI

InChI=1S/C13H17N3S/c1-10-5-6-12(9-11(10)2)15-13(17)16(3)8-4-7-14/h5-6,9H,4,8H2,1-3H3,(H,15,17)