N-(3-chloranyl-4-methyl-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=C(C4=CC=CC=C4O3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=C(C4=CC=CC=C4O3)C)Cl

InChI

InChI=1S/C23H21ClN4O2S/c1-4-11-28-22(21-15(3)17-7-5-6-8-19(17)30-21)26-27-23(28)31-13-20(29)25-16-10-9-14(2)18(24)12-16/h4-10,12H,1,11,13H2,2-3H3,(H,25,29)