(4S,5S)-2-azanylidene-5-cyclopropylcarbonyl-4-pyridin-3-yl-thiolane-3-carbonitrile

Systemtic Name: (4S,5S)-2-azanylidene-5-cyclopropylcarbonyl-4-pyridin-3-yl-thiolane-3-carbonitrile Openeye Name: (4S,5S)-5-(cyclopropanecarbonyl)-2-imino-4-(3-pyridyl)tetrahydrothiophene-3-carbonitrile CAS Name: (4S,5S)-5-[cyclopropyl(oxo)methyl]-2-imino-4-(3-pyridinyl)-3-thiolanecarbonitrile IUPAC Name: (4S,5S)-5-(cyclopropanecarbonyl)-2-imino-4-pyridin-3-ylthiolane-3-carbonitrile Traditional Name: (4S,5S)-5-(cyclopropanecarbonyl)-2-imino-4-(3-pyridyl)tetrahydrothiophene-3-carbonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C2C(C(C(=N)S2)C#N)C3=CN=CC=C3

Isomeric SMILES

C1CC1C(=O)[C@@H]2[C@@H](C(C(=N)S2)C#N)C3=CN=CC=C3

InChI

InChI=1S/C14H13N3OS/c15-6-10-11(9-2-1-5-17-7-9)13(19-14(10)16)12(18)8-3-4-8/h1-2,5,7-8,10-11,13,16H,3-4H2/t10?,11-,13+/m1/s1