2-(diethoxyphosphinothioylamino)-4-phenyl-5-(phenylcarbonyl)thiophene-3-carbonitrile

Systemtic Name: 2-(diethoxyphosphinothioylamino)-4-phenyl-5-(phenylcarbonyl)thiophene-3-carbonitrile Openeye Name: 5-benzoyl-2-(diethoxyphosphinothioylamino)-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-benzoyl-2-(diethoxyphosphinothioylamino)-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 5-benzoyl-2-(diethoxyphosphinothioylamino)-4-phenylthiophene-3-carbonitrile Traditional Name: 5-benzoyl-2-(diethoxythiophosphorylamino)-4-phenyl-thiophene-3-carbonitrile Formula: C22H21N2O3PS2 MolecularWeight: 456.517501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(NC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C#N)OCC

Isomeric SMILES

CCOP(=S)(NC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C#N)OCC

InChI

InChI=1S/C22H21N2O3PS2/c1-3-26-28(29,27-4-2)24-22-18(15-23)19(16-11-7-5-8-12-16)21(30-22)20(25)17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3,(H,24,29)