3-[(2-chloranyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine

Systemtic Name: 3-[(2-chloranyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine Openeye Name: 3-[(2-chloro-9H-xanthen-9-yl)sulfanyl]propan-1-amine CAS Name: 3-[(2-chloro-9H-xanthen-9-yl)thio]-1-propanamine IUPAC Name: 3-[(2-chloro-9H-xanthen-9-yl)sulfanyl]propan-1-amine Traditional Name: 3-[(2-chloro-9H-xanthen-9-yl)thio]propylamine Formula: C16H16ClNOS MolecularWeight: 305.82234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)Cl)SCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)Cl)SCCCN

InChI

InChI=1S/C16H16ClNOS/c17-11-6-7-15-13(10-11)16(20-9-3-8-18)12-4-1-2-5-14(12)19-15/h1-2,4-7,10,16H,3,8-9,18H2