(2S)-2-ethanimidoyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H15N5OS/c1-4-5-17-9(3)15-16-12(17)19-7-11(18)10(6-13)8(2)14/h4,10,14H,1,5,7H2,2-3H3/t10-/m1/s1