(6E)-2-(aminomethyl)-4-phenyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-(aminomethyl)-4-phenyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-(aminomethyl)-4-phenyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-(aminomethyl)-6-(1-mercaptobutylidene)-4-phenyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-(aminomethyl)-4-phenyl-6-(1-sulfanylbutylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-(aminomethyl)-6-(1-mercaptobutylidene)-4-phenyl-cyclohexa-2,4-dien-1-one Formula: C17H19NOS MolecularWeight: 285.40386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C=C(C=C(C1=O)CN)C2=CC=CC=C2)S

Isomeric SMILES

CCC/C(=C\1/C=C(C=C(C1=O)CN)C2=CC=CC=C2)/S

InChI

InChI=1S/C17H19NOS/c1-2-6-16(20)15-10-13(9-14(11-18)17(15)19)12-7-4-3-5-8-12/h3-5,7-10,20H,2,6,11,18H2,1H3/b16-15+