2-(4-chloranyl-7-phenylsulfanyl-isoquinolin-1-yl)guanidine

Systemtic Name: 2-(4-chloranyl-7-phenylsulfanyl-isoquinolin-1-yl)guanidine Openeye Name: 2-(4-chloro-7-phenylsulfanyl-1-isoquinolyl)guanidine CAS Name: 2-[4-chloro-7-(phenylthio)-1-isoquinolinyl]guanidine IUPAC Name: 2-(4-chloro-7-phenylsulfanylisoquinolin-1-yl)guanidine Traditional Name: 2-[4-chloro-7-(phenylthio)-1-isoquinolyl]guanidine Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C16H13ClN4S/c17-14-9-20-15(21-16(18)19)13-8-11(6-7-12(13)14)22-10-4-2-1-3-5-10/h1-9H,(H4,18,19,20,21)