N-(3-chloranyl-4-methoxy-phenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H16ClN5O2S/c1-25-15-8-7-12(11-14(15)18)19-16(24)9-10-26-17-20-21-22-23(17)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,24)