N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-prop-2-enyl-1,2,3,4-tetrazol-5-amine Openeye Name: 1-allyl-N-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]tetrazol-5-amine CAS Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-prop-2-enyl-5-tetrazolamine IUPAC Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine Traditional Name: (1-allyltetrazol-5-yl)-[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]amine Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NN=NN2CC=C)Cl)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NN=NN2CC=C)Cl)OCC3=CC=CS3

InChI

InChI=1S/C17H18ClN5O2S/c1-3-6-23-17(20-21-22-23)19-10-12-8-14(18)16(15(9-12)24-2)25-11-13-5-4-7-26-13/h3-5,7-9H,1,6,10-11H2,2H3,(H,19,20,22)