N-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]thian-4-amine

Systemtic Name: N-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]thian-4-amine Openeye Name: N-[3-(5-methyltetrazol-1-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[3-(5-methyl-1-tetrazolyl)phenyl]-4-thianamine IUPAC Name: N-[3-(5-methyltetrazol-1-yl)phenyl]thian-4-amine Traditional Name: [3-(5-methyltetrazol-1-yl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C13H17N5S MolecularWeight: 275.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1C2=CC(=CC=C2)NC3CCSCC3

Isomeric SMILES

CC1=NN=NN1C2=CC(=CC=C2)NC3CCSCC3

InChI

InChI=1S/C13H17N5S/c1-10-15-16-17-18(10)13-4-2-3-12(9-13)14-11-5-7-19-8-6-11/h2-4,9,11,14H,5-8H2,1H3