N-[1-[5-(2-chloranylprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[1-[5-(2-chloranylprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[1-[5-(2-chloroallylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[1-[5-(2-chloroprop-2-enylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[1-[5-(2-chloroprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[1-[5-(2-chloroallylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-5-methyl-thiophene-2-carboxamide Formula: C20H21ClN4OS2 MolecularWeight: 432.98994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C)SCC(=C)Cl

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C)SCC(=C)Cl

InChI

InChI=1S/C20H21ClN4OS2/c1-13(21)12-27-20-24-23-18(25(20)3)16(11-15-7-5-4-6-8-15)22-19(26)17-10-9-14(2)28-17/h4-10,16H,1,11-12H2,2-3H3,(H,22,26)