N-[(5-phenyl-1,2,3,4-tetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-benzothiazol-6-amine

Systemtic Name: N-[(5-phenyl-1,2,3,4-tetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-benzothiazol-6-amine Openeye Name: 2-allylsulfanyl-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine CAS Name: N-[(5-phenyl-1-tetrazolyl)methyl]-2-(prop-2-enylthio)-1,3-benzothiazol-6-amine IUPAC Name: N-[(5-phenyltetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-benzothiazol-6-amine Traditional Name: [2-(allylthio)-1,3-benzothiazol-6-yl]-[(5-phenyltetrazol-1-yl)methyl]amine Formula: C18H16N6S2 MolecularWeight: 380.48984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6S2/c1-2-10-25-18-20-15-9-8-14(11-16(15)26-18)19-12-24-17(21-22-23-24)13-6-4-3-5-7-13/h2-9,11,19H,1,10,12H2