N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methyl-2-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methyl-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methyl-2-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methyl-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propionamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(C)N3C=NC=N3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(C)N3C=NC=N3

InChI

InChI=1S/C20H23N5OS2/c1-4-5-6-7-8-11-27-19-24-16-10-9-15(12-17(16)28-19)23-18(26)20(2,3)25-14-21-13-22-25/h9-10,12-14H,4-5,8,11H2,1-3H3,(H,23,26)