N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-[(4-methoxyphenyl)thio]butyramide Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCSC2=CC=C(C=C2)OC)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCSC2=CC=C(C=C2)OC)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H21ClN4O2S2/c1-14-13-19(27(26-14)22-25-21-17(23)5-3-6-18(21)31-22)24-20(28)7-4-12-30-16-10-8-15(29-2)9-11-16/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,24,28)