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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H18N6O2S2 MolecularWeight: 438.52592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

InChI

InChI=1S/C20H18N6O2S2/c1-3-9-26-18(13-5-4-8-21-11-13)24-25-20(26)29-12-17(27)23-19-22-15-7-6-14(28-2)10-16(15)30-19/h3-8,10-11H,1,9,12H2,2H3,(H,22,23,27)