N-(6-chloranyl-7-methyl-1,3-benzothiazol-2-yl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-chloranyl-7-methyl-1,3-benzothiazol-2-yl)-N-methyl-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-(6-chloro-7-methyl-1,3-benzothiazol-2-yl)-N-methyl-acetamide CAS Name: N-(6-chloro-7-methyl-1,3-benzothiazol-2-yl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-chloro-7-methyl-1,3-benzothiazol-2-yl)-N-methyl-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-(6-chloro-7-methyl-1,3-benzothiazol-2-yl)-N-methyl-acetamide Formula: C21H19ClN6OS2 MolecularWeight: 470.99816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SC(=N2)N(C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1SC(=N2)N(C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)Cl

InChI

InChI=1S/C21H19ClN6OS2/c1-4-11-28-19(14-7-9-23-10-8-14)25-26-21(28)30-12-17(29)27(3)20-24-16-6-5-15(22)13(2)18(16)31-20/h4-10H,1,11-12H2,2-3H3