3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylsulfanyl)-1H-indole

Systemtic Name: 3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylsulfanyl)-1H-indole Openeye Name: 3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylsulfanyl)-1H-indole CAS Name: 3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylthio)-1H-indole IUPAC Name: 3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylsulfanyl)-1H-indole Traditional Name: 3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylthio)-1H-indole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)SC2=CNC3=CC=CC=C32

Isomeric SMILES

C1CCN=C(NC1)SC2=CNC3=CC=CC=C32

InChI

InChI=1S/C13H15N3S/c1-2-6-11-10(5-1)12(9-16-11)17-13-14-7-3-4-8-15-13/h1-2,5-6,9,16H,3-4,7-8H2,(H,14,15)