N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine

Systemtic Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine Openeye Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]-4-thianamine IUPAC Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thian-4-amine Traditional Name: tetrahydrothiopyran-4-yl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C13H16N4S2 MolecularWeight: 292.42294

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

C1CSCCC1NC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C13H16N4S2/c1-3-12(19-13-14-9-15-17-13)4-2-10(1)16-11-5-7-18-8-6-11/h1-4,9,11,16H,5-8H2,(H,14,15,17)