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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CCCOC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CCCOC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN5O2S/c1-12(21)15(10-20)16(25)11-27-18-23-22-17(24(18)8-3-9-26-2)13-4-6-14(19)7-5-13/h4-7,15,21H,3,8-9,11H2,1-2H3