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

Systemtic Name: N-[3-(1,2,4-triazol-4-yl)phenyl]thian-4-amine Openeye Name: N-[3-(1,2,4-triazol-4-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[3-(1,2,4-triazol-4-yl)phenyl]-4-thianamine IUPAC Name: N-[3-(1,2,4-triazol-4-yl)phenyl]thian-4-amine Traditional Name: tetrahydrothiopyran-4-yl-[3-(1,2,4-triazol-4-yl)phenyl]amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=CC(=C2)N3C=NN=C3

Isomeric SMILES

C1CSCCC1NC2=CC=CC(=C2)N3C=NN=C3

InChI

InChI=1S/C13H16N4S/c1-2-12(16-11-4-6-18-7-5-11)8-13(3-1)17-9-14-15-10-17/h1-3,8-11,16H,4-7H2