ethyl 2-[5-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C13H17N5O3S/c1-4-21-12(20)5-11-16-17-13(18(11)3)22-7-10(19)9(6-14)8(2)15/h9,15H,4-5,7H2,1-3H3/t9-/m1/s1