3-[2-azanylidene-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-1,3-thiazol-3-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2-azanylidene-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-1,3-thiazol-3-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-imino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)thiazol-3-yl]-3-oxo-propanenitrile CAS Name: 3-[2-imino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-3-thiazolyl]-3-oxopropanenitrile IUPAC Name: 3-[2-imino-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-1,3-thiazol-3-yl]-3-oxopropanenitrile Traditional Name: 3-[2-imino-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-4-thiazolin-3-yl]-3-keto-propionitrile Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2=CSC(=N)N2C(=O)CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C2=CSC(=N)N2C(=O)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C16H13N5O2S/c1-10-14(12-9-24-16(18)20(12)13(22)7-8-17)15(23)21(19-10)11-5-3-2-4-6-11/h2-6,9,14,18H,7H2,1H3