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

Systemtic Name: (E)-3-[(3-iodanyl-4-methyl-phenyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-iodo-4-methyl-anilino)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-iodo-4-methylanilino)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-iodo-4-methylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-iodo-4-methyl-anilino)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C14H12IN3S MolecularWeight: 381.23465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C)I

InChI

InChI=1S/C14H12IN3S/c1-9-3-4-12(5-13(9)15)17-7-11(6-16)14-18-10(2)8-19-14/h3-5,7-8,17H,1-2H3/b11-7+