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

Systemtic Name: N-[3-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]thiolan-3-amine Openeye Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]tetrahydrothiophen-3-amine CAS Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-thiolanamine IUPAC Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiolan-3-amine Traditional Name: [3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-tetrahydrothiophen-3-yl-amine Formula: C12H13ClN4S MolecularWeight: 280.77642

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1NC2=C(C(=CC=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1CSCC1NC2=C(C(=CC=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C12H13ClN4S/c13-10-2-1-3-11(16-9-4-5-18-6-9)12(10)17-8-14-7-15-17/h1-3,7-9,16H,4-6H2