N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine

Systemtic Name: N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine Openeye Name: N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine CAS Name: N,N-diethyl-3-(methylthio)-5-phenyl-3H-azepin-2-amine IUPAC Name: N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine Traditional Name: diethyl-[3-(methylthio)-5-phenyl-3H-azepin-2-yl]amine Formula: C17H22N2S MolecularWeight: 286.43498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=CC(=CC1SC)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=NC=CC(=CC1SC)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2S/c1-4-19(5-2)17-16(20-3)13-15(11-12-18-17)14-9-7-6-8-10-14/h6-13,16H,4-5H2,1-3H3