N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-2-pyrazin-2-yl-thiazole-5-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methyl-2-(2-pyrazinyl)-5-thiazolecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methyl-2-pyrazin-2-yl-thiazole-5-carboxamide Formula: C23H21N5OS3 MolecularWeight: 479.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(N=C(S3)C4=NC=CN=C4)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(N=C(S3)C4=NC=CN=C4)C

InChI

InChI=1S/C23H21N5OS3/c1-3-4-5-6-7-12-30-23-28-17-9-8-16(13-19(17)31-23)27-21(29)20-15(2)26-22(32-20)18-14-24-10-11-25-18/h8-11,13-14H,3-4,7,12H2,1-2H3,(H,27,29)