4-azanyl-5-(4-methylphenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(4-methylphenyl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile Openeye Name: 2-(allylamino)-4-amino-5-(4-methylbenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile Traditional Name: 2-(allylamino)-4-amino-5-p-toluoyl-thiophene-3-carbonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N

InChI

InChI=1S/C16H15N3OS/c1-3-8-19-16-12(9-17)13(18)15(21-16)14(20)11-6-4-10(2)5-7-11/h3-7,19H,1,8,18H2,2H3