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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-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-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxy-phenyl)acetamide Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)Cl

InChI

InChI=1S/C19H18ClN5O2S/c1-3-9-25-18(13-5-4-8-21-11-13)23-24-19(25)28-12-17(26)22-14-6-7-16(27-2)15(20)10-14/h3-8,10-11H,1,9,12H2,2H3,(H,22,26)