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

Systemtic Name: (2R)-2-ethanimidoyl-4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-4-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C16H17N5O2S/c1-4-6-21-15(12-5-7-23-11(12)3)19-20-16(21)24-9-14(22)13(8-17)10(2)18/h4-5,7,13,18H,1,6,9H2,2-3H3/t13-/m0/s1