N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-25-15-8-7-13(9-14(15)19)20-17(24)10-16-21-22-18(26)23(16)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,24)(H,22,26)