[2-[(4-cyanophenyl)methylsulfanyl]-3,1-benzothiazin-4-ylidene]azanium

Systemtic Name: [2-[(4-cyanophenyl)methylsulfanyl]-3,1-benzothiazin-4-ylidene]azanium Openeye Name: [2-[(4-cyanophenyl)methylsulfanyl]-3,1-benzothiazin-4-ylidene]ammonium CAS Name: [2-[(4-cyanophenyl)methylthio]-3,1-benzothiazin-4-ylidene]ammonium IUPAC Name: [2-[(4-cyanophenyl)methylsulfanyl]-3,1-benzothiazin-4-ylidene]azanium Traditional Name: [2-[(4-cyanobenzyl)thio]-3,1-benzothiazin-4-ylidene]ammonium Formula: C16H12N3S2+ MolecularWeight: 310.41658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[NH2+])SC(=N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=[NH2+])SC(=N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3S2/c17-9-11-5-7-12(8-6-11)10-20-16-19-14-4-2-1-3-13(14)15(18)21-16/h1-8,18H,10H2/p+1