phenyl N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidate Openeye Name: 1-cyano-2-phenyl-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)isourea CAS Name: N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidate Traditional Name: 1-cyano-2-phenyl-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)isourea Formula: C15H10N4OS2 MolecularWeight: 326.3961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC2=CC3=C(C=C2)NC(=S)S3)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC2=CC3=C(C=C2)NC(=S)S3)NC#N

InChI

InChI=1S/C15H10N4OS2/c16-9-17-14(20-11-4-2-1-3-5-11)18-10-6-7-12-13(8-10)22-15(21)19-12/h1-8H,(H,17,18)(H,19,21)