3-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)CCC#N

InChI

InChI=1S/C17H13N5O2S/c18-7-4-8-22-10-12(14(21-22)11-5-2-1-3-6-11)9-13-15(23)19-17(25)20-16(13)24/h1-3,5-6,9-10H,4,8H2,(H2,19,20,23,24,25)