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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2CCSCC2)N3C=NN=N3

Isomeric SMILES

CC1=C(C=CC(=C1)NC2CCSCC2)N3C=NN=N3

InChI

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