5-azanyl-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]pyrazole-4-carbonitrile Formula: C14H9N5O2S MolecularWeight: 311.31856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)N4C(=C(C=N4)C#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)N4C(=C(C=N4)C#N)N

InChI

InChI=1S/C14H9N5O2S/c15-4-9-5-17-19(13(9)16)14-18-10(6-22-14)8-1-2-11-12(3-8)21-7-20-11/h1-3,5-6H,7,16H2