(2S)-2-ethanimidoyl-4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)C(C#N)C(=N)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)[C@H](C#N)C(=N)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N5O2S/c1-11(2)23-17(13-5-7-14(25-4)8-6-13)21-22-18(23)26-10-16(24)15(9-19)12(3)20/h5-8,11,15,20H,10H2,1-4H3/t15-/m1/s1