phenyl N'-(2-azanyl-5-propylsulfanyl-phenyl)-N-cyano-carbamimidate

Systemtic Name: phenyl N'-(2-azanyl-5-propylsulfanyl-phenyl)-N-cyano-carbamimidate Openeye Name: 3-(2-amino-5-propylsulfanyl-phenyl)-1-cyano-2-phenyl-isourea CAS Name: N'-[2-amino-5-(propylthio)phenyl]-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-(2-amino-5-propylsulfanylphenyl)-N-cyanocarbamimidate Traditional Name: 3-[2-amino-5-(propylthio)phenyl]-1-cyano-2-phenyl-isourea Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)N)N=C(NC#N)OC2=CC=CC=C2

Isomeric SMILES

CCCSC1=CC(=C(C=C1)N)N=C(NC#N)OC2=CC=CC=C2

InChI

InChI=1S/C17H18N4OS/c1-2-10-23-14-8-9-15(19)16(11-14)21-17(20-12-18)22-13-6-4-3-5-7-13/h3-9,11H,2,10,19H2,1H3,(H,20,21)