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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(3-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-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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