5-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-(3,5-dimethylphenyl)ethyl]thiophene-3-carbonitrile

Systemtic Name: 5-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-(3,5-dimethylphenyl)ethyl]thiophene-3-carbonitrile Openeye Name: 5-[1-(4,5-dihydrothiazol-2-ylamino)-2-(3,5-dimethylphenyl)ethyl]thiophene-3-carbonitrile CAS Name: 5-[1-(4,5-dihydrothiazol-2-ylamino)-2-(3,5-dimethylphenyl)ethyl]-3-thiophenecarbonitrile IUPAC Name: 5-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-(3,5-dimethylphenyl)ethyl]thiophene-3-carbonitrile Traditional Name: 5-[2-(3,5-dimethylphenyl)-1-(2-thiazolin-2-ylamino)ethyl]thiophene-3-carbonitrile Formula: C18H19N3S2 MolecularWeight: 341.49356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(C2=CC(=CS2)C#N)NC3=NCCS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(C2=CC(=CS2)C#N)NC3=NCCS3)C

InChI

InChI=1S/C18H19N3S2/c1-12-5-13(2)7-14(6-12)8-16(21-18-20-3-4-22-18)17-9-15(10-19)11-23-17/h5-7,9,11,16H,3-4,8H2,1-2H3,(H,20,21)