1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-N-(1,2,4-triazol-1-yl)methanimine

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-N-(1,2,4-triazol-1-yl)methanimine Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-N-(1,2,4-triazol-1-yl)methanimine CAS Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-N-(1,2,4-triazol-1-yl)methanimine IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-N-(1,2,4-triazol-1-yl)methanimine Traditional Name: (E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzylidene]-(1,2,4-triazol-1-yl)amine Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2C=NC=N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2C=NC=N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N5OS2/c1-24-16-7-6-13(9-20-23-12-19-11-21-23)8-14(16)10-25-18-22-15-4-2-3-5-17(15)26-18/h2-9,11-12H,10H2,1H3/b20-9+