methyl N-cyano-N'-phenanthren-9-yl-carbamimidothioate

Systemtic Name: methyl N-cyano-N'-phenanthren-9-yl-carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(9-phenanthryl)isothiourea CAS Name: N-cyano-N'-(9-phenanthrenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-phenanthren-9-ylcarbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(9-phenanthryl)isothiourea Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC2=CC=CC=C2C3=CC=CC=C31)NC#N

Isomeric SMILES

CSC(=NC1=CC2=CC=CC=C2C3=CC=CC=C31)NC#N

InChI

InChI=1S/C17H13N3S/c1-21-17(19-11-18)20-16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3,(H,19,20)