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

Systemtic Name: 2-[[5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(3-chloro-4-isopropoxy-phenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-chloro-4-isopropoxy-benzyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N)Cl

InChI

InChI=1S/C17H21ClN4O2S/c1-4-7-22-16(20-21-17(22)25-10-15(19)23)9-12-5-6-14(13(18)8-12)24-11(2)3/h4-6,8,11H,1,7,9-10H2,2-3H3,(H2,19,23)