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

Systemtic Name: N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thian-4-amine Openeye Name: N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-thianamine IUPAC Name: N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thian-4-amine Traditional Name: [2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC=CC=C2NC3CCSCC3

Isomeric SMILES

CN1C=NN=C1C2=CC=CC=C2NC3CCSCC3

InChI

InChI=1S/C14H18N4S/c1-18-10-15-17-14(18)12-4-2-3-5-13(12)16-11-6-8-19-9-7-11/h2-5,10-11,16H,6-9H2,1H3