N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N5O2S/c1-5-13-28-20(18-9-7-6-8-10-18)26-27-23(28)31-17(4)21(29)25-22(30)24-19-12-11-15(2)14-16(19)3/h5-12,14,17H,1,13H2,2-4H3,(H2,24,25,29,30)