2-(4-chlorophenyl)carbonyl-3-(cyclopropylmethylamino)-3-methylsulfanyl-prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)carbonyl-3-(cyclopropylmethylamino)-3-methylsulfanyl-prop-2-enenitrile Openeye Name: 2-(4-chlorobenzoyl)-3-(cyclopropylmethylamino)-3-methylsulfanyl-prop-2-enenitrile CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3-(cyclopropylmethylamino)-3-(methylthio)-2-propenenitrile IUPAC Name: 2-(4-chlorobenzoyl)-3-(cyclopropylmethylamino)-3-methylsulfanylprop-2-enenitrile Traditional Name: 2-(4-chlorobenzoyl)-3-(cyclopropylmethylamino)-3-(methylthio)acrylonitrile Formula: C15H15ClN2OS MolecularWeight: 306.8104

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCC2CC2

Isomeric SMILES

CSC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCC2CC2

InChI

InChI=1S/C15H15ClN2OS/c1-20-15(18-9-10-2-3-10)13(8-17)14(19)11-4-6-12(16)7-5-11/h4-7,10,18H,2-3,9H2,1H3