3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-propan-2-yloxy-phenyl)propanenitrile

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-propan-2-yloxy-phenyl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)-3-(4-isopropoxy-3-methoxy-phenyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-1-pyrazolidinyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)-3-(4-isopropoxy-3-methoxy-phenyl)propionitrile Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C(C#N)C2=NC3=CC=CC=C3S2)N4C(=N)CC(=O)N4)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(C(C#N)C2=NC3=CC=CC=C3S2)N4C(=N)CC(=O)N4)OC

InChI

InChI=1S/C23H23N5O3S/c1-13(2)31-17-9-8-14(10-18(17)30-3)22(28-20(25)11-21(29)27-28)15(12-24)23-26-16-6-4-5-7-19(16)32-23/h4-10,13,15,22,25H,11H2,1-3H3,(H,27,29)