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

Systemtic Name: 2-ethanimidoyl-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H23N5O2S/c1-16(25)19(14-24)20(29)15-31-23-27-26-22(18-10-6-7-11-21(18)30-2)28(23)13-12-17-8-4-3-5-9-17/h3-11,19,25H,12-13,15H2,1-2H3