6-(4-aminophenyl)-3-chloranyl-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile

Systemtic Name: 6-(4-aminophenyl)-3-chloranyl-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile Openeye Name: 6-(4-aminophenyl)-3-chloro-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile CAS Name: 6-(4-aminophenyl)-3-chloro-4-(1-pyrrolidinyl)-2,4-dihydrothiopyran-3-carbonitrile IUPAC Name: 6-(4-aminophenyl)-3-chloro-4-pyrrolidin-1-yl-2,4-dihydrothiopyran-3-carbonitrile Traditional Name: 6-(4-aminophenyl)-3-chloro-4-pyrrolidino-2,4-dihydrothiopyran-3-carbonitrile Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2C=C(SCC2(C#N)Cl)C3=CC=C(C=C3)N

Isomeric SMILES

C1CCN(C1)C2C=C(SCC2(C#N)Cl)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H18ClN3S/c17-16(10-18)11-21-14(12-3-5-13(19)6-4-12)9-15(16)20-7-1-2-8-20/h3-6,9,15H,1-2,7-8,11,19H2