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

Systemtic Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]thian-4-amine Openeye Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-thianamine IUPAC Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]thian-4-amine Traditional Name: [3-(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=C2)NC3CCSCC3

Isomeric SMILES

CN1C=NN=C1C2=CC(=CC=C2)NC3CCSCC3

InChI

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