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

Systemtic Name: N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]thian-4-amine Openeye Name: N-[4-(tetrazol-1-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[4-(1-tetrazolyl)phenyl]-4-thianamine IUPAC Name: N-[4-(tetrazol-1-yl)phenyl]thian-4-amine Traditional Name: tetrahydrothiopyran-4-yl-[4-(tetrazol-1-yl)phenyl]amine Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1CSCCC1NC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C12H15N5S/c1-3-12(17-9-13-15-16-17)4-2-10(1)14-11-5-7-18-8-6-11/h1-4,9,11,14H,5-8H2