N-(4-chlorophenyl)-2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-N-(4-chlorophenyl)acetamide Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN5O2S/c1-2-12-27-18(13-19(28)23-17-10-8-15(22)9-11-17)25-26-21(27)30-14-20(29)24-16-6-4-3-5-7-16/h2-11H,1,12-14H2,(H,23,28)(H,24,29)