benzotriazol-1-yl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C30H23N5O4S MolecularWeight: 549.59972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H23N5O4S/c36-30(39-35-27-10-5-4-9-26(27)31-34-35)23-13-11-21(12-14-23)28-32-33-29(40-28)22-15-17-25(18-16-22)38-20-6-19-37-24-7-2-1-3-8-24/h1-5,7-18H,6,19-20H2