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

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N5O2S/c1-4-12-27-20(17-8-6-5-7-9-17)25-26-22(27)30-14-19(28)24-21(29)23-18-11-10-15(2)13-16(18)3/h4-11,13H,1,12,14H2,2-3H3,(H2,23,24,28,29)