2-[(2-azanyl-4-chloranyl-phenyl)sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[(2-azanyl-4-chloranyl-phenyl)sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(2-amino-4-chloro-phenyl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(2-amino-4-chlorophenyl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(2-amino-4-chlorophenyl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(2-amino-4-chloro-phenyl)thio]methyl]indolizine-1-carbonitrile Formula: C16H12ClN3S MolecularWeight: 313.80458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSC3=C(C=C(C=C3)Cl)N)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSC3=C(C=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C16H12ClN3S/c17-12-4-5-16(14(19)7-12)21-10-11-9-20-6-2-1-3-15(20)13(11)8-18/h1-7,9H,10,19H2