2-azanyl-6-[1-(3-chloranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-cyclopropyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[1-(3-chloranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4-cyclopropyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[1-(3-chloro-4-methoxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-4-cyclopropyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4-cyclopropylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-cyclopropylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[1-(3-chloro-4-methoxy-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-4-cyclopropyl-dinicotinonitrile Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C(=C(C(=N3)N)C#N)C4CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C(=C(C(=N3)N)C#N)C4CC4)C#N)Cl

InChI

InChI=1S/C21H16ClN5O3S/c1-30-15-5-4-11(6-14(15)22)27-17(28)7-16(21(27)29)31-20-13(9-24)18(10-2-3-10)12(8-23)19(25)26-20/h4-6,10,16H,2-3,7H2,1H3,(H2,25,26)