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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzothiazol-2-yl)propionamide Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C20H18N6OS2/c1-3-12-26-17(14-8-10-21-11-9-14)24-25-20(26)28-13(2)18(27)23-19-22-15-6-4-5-7-16(15)29-19/h3-11,13H,1,12H2,2H3,(H,22,23,27)