5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-iodanylphenyl)amino]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-iodanylphenyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-iodoanilino)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-iodoanilino)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-iodoanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-iodoanilino)pyrazole-4-carbonitrile Formula: C17H11IN6S MolecularWeight: 458.27891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C(=N3)NC4=CC(=CC=C4)I)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C(=N3)NC4=CC(=CC=C4)I)C#N)N

InChI

InChI=1S/C17H11IN6S/c18-10-4-3-5-11(8-10)21-16-12(9-19)15(20)24(23-16)17-22-13-6-1-2-7-14(13)25-17/h1-8H,20H2,(H,21,23)