N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H20N6OS2 MolecularWeight: 436.5531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)C

InChI

InChI=1S/C21H20N6OS2/c1-4-9-27-19(15-5-7-22-8-6-15)25-26-21(27)29-12-17(28)23-20-24-18-14(3)10-13(2)11-16(18)30-20/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,24,28)