(3S,4R)-6-azanyl-2-azanylidene-4-(4-chlorophenyl)-3-diethoxyphosphoryl-3,4-dihydrothiopyran-5-carbonitrile

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-4-(4-chlorophenyl)-3-diethoxyphosphoryl-3,4-dihydrothiopyran-5-carbonitrile Openeye Name: (3S,4R)-6-amino-4-(4-chlorophenyl)-3-diethoxyphosphoryl-2-imino-3,4-dihydrothiopyran-5-carbonitrile CAS Name: (3S,4R)-6-amino-4-(4-chlorophenyl)-3-diethoxyphosphoryl-2-imino-3,4-dihydrothiopyran-5-carbonitrile IUPAC Name: (3S,4R)-6-amino-4-(4-chlorophenyl)-3-diethoxyphosphoryl-2-imino-3,4-dihydrothiopyran-5-carbonitrile Traditional Name: (3S,4R)-6-amino-4-(4-chlorophenyl)-3-diethoxyphosphoryl-2-imino-3,4-dihydrothiopyran-5-carbonitrile Formula: C16H19ClN3O3PS MolecularWeight: 399.832121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C(C(=C(SC1=N)N)C#N)C2=CC=C(C=C2)Cl)OCC

Isomeric SMILES

CCOP(=O)([C@H]1[C@@H](C(=C(SC1=N)N)C#N)C2=CC=C(C=C2)Cl)OCC

InChI

InChI=1S/C16H19ClN3O3PS/c1-3-22-24(21,23-4-2)14-13(10-5-7-11(17)8-6-10)12(9-18)15(19)25-16(14)20/h5-8,13-14,20H,3-4,19H2,1-2H3/t13-,14+/m1/s1