(E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C#N

InChI

InChI=1S/C19H21N3S/c1-15-14-23-19(21-15)17(13-20)12-16-6-8-18(9-7-16)22-10-4-2-3-5-11-22/h6-9,12,14H,2-5,10-11H2,1H3/b17-12+