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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1CSCCC1NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C14H18N4S/c1-3-13(17-14-5-7-19-8-6-14)4-2-12(1)9-18-11-15-10-16-18/h1-4,10-11,14,17H,5-9H2