5-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[3-(2-benzotriazolyl)-4-ethoxyphenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[3-(benzotriazol-2-yl)-4-ethoxyphenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[3-(benzotriazol-2-yl)-4-ethoxy-benzyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16N6OS2 MolecularWeight: 384.47854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NN=C(S2)N)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NN=C(S2)N)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C17H16N6OS2/c1-2-24-15-8-7-11(10-25-17-20-19-16(18)26-17)9-14(15)23-21-12-5-3-4-6-13(12)22-23/h3-9H,2,10H2,1H3,(H2,18,19)