N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

InChI

InChI=1S/C18H20N4O3S2/c1-11-9-14(22-21-11)17(23)19-12-3-4-13-15(10-12)27-18(20-13)26-8-5-16-24-6-2-7-25-16/h3-4,9-10,16H,2,5-8H2,1H3,(H,19,23)(H,21,22)